Knowledge Base

Article ID: 520 - Last Modified:

I am using Maestro 9.0 and am unable to edit the calculated values for 'QM Energy' as calculated from Jaguar. What do I do?

The property "QM Energy" was renamed "Gas Phase Energy" in Suite 2009 (Jaguar 7.6). The fact that this property exists in your project indicates that the project was originally created using an older Schrödinger release and was now opened in Maestro 9.0.

You might find that you cannot edit the QM energy values but can edit the other property values. You will end up with two columns: one that is QM Energy and another that is Gas Phase Energy.These can be merged into a single property. To do so, use Property → Copy in the Project Table. It would probably be the best to copy values from "QM Energy" to "Gas Phase Energy" for selected rows (older results) since this is the current format. You can then delete the "QM Energy" column altogether.

Keywords: QM energy , Gas Phase energy, project table, Maestro

Back to Search Results

Was this information helpful?

What can we do to improve this information?


To ask a question or get help, please submit a support ticket or email us at help@schrodinger.com.
Knowledge Base Search

Type the words or phrases on which you would like to search, or click here to view a list of all
Knowledge Base articles